General Information of the Compound
| Compound ID |
CP0543716
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| Compound Name |
(4S)-5-[(1R,5S)-3-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C25H31ClN6O3
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| Molecular Weight |
499.015
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1C[C@@H]2CC[C@H](C1)N2c1ncnc2NC(=O)O[C@@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H31ClN6O3/c1-14(2)27-10-20(16-4-6-17(26)7-5-16)24(33)31-11-18-8-9-19(12-31)32(18)23-21-15(3)35-25(34)30-22(21)28-13-29-23/h4-7,13-15,18-20,27H,8-12H2,1-3H3,(H,28,29,30,34)/t15-,18-,19+,20+/m0/s1
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| InChIKey |
NDWJXNZFXDTBIZ-KCUHQSDYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase